2-(Methylsulfonyl)-1,1-diphenylethanol
Basic information
- CAS
5324-89-0- Standard SMILES
CS(=O)(=O)CC(O)(c1ccccc1)c1ccccc1- InChIKey
WJACSUGFAFYOJF-UHFFFAOYSA-N- Molecular formula
- C15H16O3S
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.08201554
Names & identifiers
- Preferred name
- 2-(Methylsulfonyl)-1,1-diphenylethanol
- IUPAC
- 2-methylsulfonyl-1,1-diphenylethanol
- English name
- 2-(Methylsulfonyl)-1,1-diphenylethanol
- Molecular formula
- C15H16O3S
- Molecular weight
- 276.35
Names & synonyms
5324-89-02-(methylsulfonyl)-1,1-diphenylethanolNSC2745DTXSID70967792NSC-2745NSC1375982-methylsulfonyl-1,1-diphenyl-ethanolNSC-137598DS-0134702-(Methanesulfonyl)-1,1-diphenylethan-1-olBenzenemethanol, α-[(methylsulfonyl)methyl]-α-phenyl-
Database identifiers
- CAS
5324-89-0- PubChem CID
- 220263
- DTXSID
DTXSID70967792
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 139.5 · 139.5-140 °C
- Boiling point
- 521.9 · 521.9±50.0 °C(Predicted)
- Density
- 1.249 · 1.249±0.06 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.29(Predicted)
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Related reactions
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Compound notes
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